SCHEMBL5137286

SCHEMBL5137286

CCCCn1c(CN(C/C=C\c2ccccc2F)Cc2ccc3c(c2)OCO3)cnc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNH2 Q12809 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 2/20 0.37
CTSL P07711 1/20 0.37
ALDH1A1 P00352 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5137287 1.00 C5AR1 (0.52) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5135817 0.93 C5AR1 (0.48) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5135814 0.93 C5AR1 (0.48) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5136279 0.93 C5AR1 (0.48) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5136277 0.93 C5AR1 (0.48) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5134977 0.93 C5AR1 (0.48) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5134973 0.93 C5AR1 (0.48) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5135981 0.91 C5AR1 (0.47) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5135979 0.91 C5AR1 (0.47) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL5134942 0.90 C5AR1 (0.55) C5AR1SMN1; SMN2TDP1LMNAL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed